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Energy profiles describe potential energy as a function of geometrical variables (PES in any dimension are independent of time and temperature). H+H2 Potential energy surface. We have different relevant elements in the 2-D PES: The 2-D plot shows the minima points where we find reactants, the products and the saddle point or transition state.
Another class of machine-learned interatomic potential is the Gaussian approximation potential (GAP), [87] [88] [89] which combines compact descriptors of local atomic environments [90] with Gaussian process regression [91] to machine learn the potential energy surface of a given system.
The term "potential energy" was coined by William Rankine a Scottish engineer and physicist in 1853 as part of a specific effort to develop terminology. [2] He chose the term as part of the pair "actual" vs "potential" going back to work by Aristotle. In his 1867 discussion of the same topic Rankine describes potential energy as 'energy of ...
A thermodynamic potential (or more accurately, a thermodynamic potential energy) [1] [2] is a scalar quantity used to represent the thermodynamic state of a system. Just as in mechanics , where potential energy is defined as capacity to do work, similarly different potentials have different meanings.
In computational chemistry, molecular physics, and physical chemistry, the Lennard-Jones potential (also termed the LJ potential or 12-6 potential; named for John Lennard-Jones) is an intermolecular pair potential. Out of all the intermolecular potentials, the Lennard-Jones potential is probably the one that has been the most extensively studied.
Energy may be released from a potential well if sufficient energy is added to the system such that the local maximum is surmounted. In quantum physics, potential energy may escape a potential well without added energy due to the probabilistic characteristics of quantum particles; in these cases a particle may be imagined to tunnel through the walls of a potential well.
The Morse potential, named after physicist Philip M. Morse, is a convenient interatomic interaction model for the potential energy of a diatomic molecule.It is a better approximation for the vibrational structure of the molecule than the quantum harmonic oscillator because it explicitly includes the effects of bond breaking, such as the existence of unbound states.
potential energy: joule (J) internal energy: joule (J) relativistic mass: kilogram (kg) energy density: joule per cubic meter (J/m 3) specific energy: joule per kilogram (J/kg) voltage also called electric potential difference volt (V) volume: cubic meter (m 3) shear force: velocity: meter per second (m/s)